3-ethyl-6-propan-2-yl-4H-azepin-2-amine

C11H18N2 — CID 134485382

IUPAC3-ethyl-6-propan-2-yl-4H-azepin-2-amine
SMILESCCC1=C(N)N=CC(C(C)C)=CC1
InChIInChI=1S/C11H18N2/c1-4-9-5-6-10(8(2)3)7-13-11(9)12/h6-8H,4-5,12H2,1-3H3
InChIKeyDRSHXTKHWYZAMC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.62
Rot. Bonds2

About 3-ethyl-6-propan-2-yl-4H-azepin-2-amine

3-ethyl-6-propan-2-yl-4H-azepin-2-amine (PubChem CID 134485382) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-ethyl-6-propan-2-yl-4H-azepin-2-amine.

Molecular Properties

Compound Name3-ethyl-6-propan-2-yl-4H-azepin-2-amine
PubChem CID134485382
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-ethyl-6-propan-2-yl-4H-azepin-2-amine
SMILESCCC1=C(N)N=CC(C(C)C)=CC1
InChIInChI=1S/C11H18N2/c1-4-9-5-6-10(8(2)3)7-13-11(9)12/h6-8H,4-5,12H2,1-3H3
InChIKeyDRSHXTKHWYZAMC-UHFFFAOYSA-N
XLogP2.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propan-2-yl-4H-azepin-2-amine?
The IUPAC name of 3-ethyl-6-propan-2-yl-4H-azepin-2-amine (CID 134485382) is 3-ethyl-6-propan-2-yl-4H-azepin-2-amine.
What is the SMILES notation for 3-ethyl-6-propan-2-yl-4H-azepin-2-amine?
The canonical SMILES for 3-ethyl-6-propan-2-yl-4H-azepin-2-amine is CCC1=C(N)N=CC(C(C)C)=CC1.
What is the InChIKey of 3-ethyl-6-propan-2-yl-4H-azepin-2-amine?
The InChIKey is DRSHXTKHWYZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9-5-6-10(8(2)3)7-13-11(9)12/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 3-ethyl-6-propan-2-yl-4H-azepin-2-amine?
3-ethyl-6-propan-2-yl-4H-azepin-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propan-2-yl-4H-azepin-2-amine is sourced from PubChem (CID 134485382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).